ethyl 2-[3-[4-[(2-phenylpyridin-3-yl)methyl]-1,4-diazepan-1-yl]propoxy]benzoate

Systemtic Name: ethyl 2-[3-[4-[(2-phenylpyridin-3-yl)methyl]-1,4-diazepan-1-yl]propoxy]benzoate Openeye Name: ethyl 2-[3-[4-[(2-phenyl-3-pyridyl)methyl]-1,4-diazepan-1-yl]propoxy]benzoate CAS Name: 2-[3-[4-[(2-phenyl-3-pyridinyl)methyl]-1,4-diazepan-1-yl]propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 2-[3-[4-[(2-phenylpyridin-3-yl)methyl]-1,4-diazepan-1-yl]propoxy]benzoate Traditional Name: 2-[3-[4-[(2-phenyl-3-pyridyl)methyl]-1,4-diazepan-1-yl]propoxy]benzoic acid ethyl ester Formula: C29H35N3O3 MolecularWeight: 473.6065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1OCCCN2CCCN(CC2)CC3=C(N=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1OCCCN2CCCN(CC2)CC3=C(N=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H35N3O3/c1-2-34-29(33)26-14-6-7-15-27(26)35-22-10-19-31-17-9-18-32(21-20-31)23-25-13-8-16-30-28(25)24-11-4-3-5-12-24/h3-8,11-16H,2,9-10,17-23H2,1H3